SpectraBase Spectrum ID |
F9JeIpIuC6p |
Name |
(2R,6R)-2-Heptyl-6-methylpiperidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
197.214349873 u |
Formula |
C13H27N |
InChI |
InChI=1S/C13H27N/c1-3-4-5-6-7-10-13-11-8-9-12(2)14-13/h12-14H,3-11H2,1-2H3/t12-,13-/m1/s1 |
InChIKey |
FBSNVHOJVHFWNL-CHWSQXEVSA-N |
Molecular Weight |
197.366 g/mol |
SMILES |
C1[C@](N[C@@](CC1)(C)[H])(CCCCCCC)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947302 |